3-oxidanylidenebutan-2-yl 3-[[2-(benzotriazol-1-yl)-3-[(6-chloranyl-3-ethanoyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)amino]-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-[[2-(benzotriazol-1-yl)-3-[(6-chloranyl-3-ethanoyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)amino]-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-[[3-[(3-acetyl-6-chloro-1-oxo-isochroman-7-yl)amino]-2-(benzotriazol-1-yl)-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[3-[(3-acetyl-6-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)amino]-2-(1-benzotriazolyl)-1,3-dioxopropyl]amino]-4-chlorobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-[[3-[(3-acetyl-6-chloro-1-oxo-3,4-dihydroisochromen-7-yl)amino]-2-(benzotriazol-1-yl)-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[3-[(3-acetyl-6-chloro-1-keto-isochroman-7-yl)amino]-2-(benzotriazol-1-yl)-3-keto-propanoyl]amino]-4-chloro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C31H25Cl2N5O8 MolecularWeight: 666.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)NC2=C(C=C3CC(OC(=O)C3=C2)C(=O)C)Cl)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)NC2=C(C=C3CC(OC(=O)C3=C2)C(=O)C)Cl)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C31H25Cl2N5O8/c1-14(39)16(3)45-30(43)17-8-9-20(32)23(11-17)34-28(41)27(38-25-7-5-4-6-22(25)36-37-38)29(42)35-24-13-19-18(10-21(24)33)12-26(15(2)40)46-31(19)44/h4-11,13,16,26-27H,12H2,1-3H3,(H,34,41)(H,35,42)