(Z)-2,3-bis(chloranyl)-4-[[(3E)-1-methyl-9-oxidanylidene-3-(phenylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-2,3-bis(chloranyl)-4-[[(3E)-1-methyl-9-oxidanylidene-3-(phenylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[[(3E)-3-benzylidene-1-methyl-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]-2,3-dichloro-4-oxo-but-2-enoic acid CAS Name: (Z)-2,3-dichloro-4-[[(3E)-1-methyl-9-oxo-3-(phenylmethylene)-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[[(3E)-3-benzylidene-1-methyl-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]-2,3-dichloro-4-oxobut-2-enoic acid Traditional Name: (Z)-4-[[(3E)-3-benzal-9-keto-1-methyl-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]amino]-2,3-dichloro-4-keto-but-2-enoic acid Formula: C23H17Cl2N3O4 MolecularWeight: 470.30478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)NC(=O)C(=C(C(=O)O)Cl)Cl)C(=O)N13

Isomeric SMILES

CC1C/C(=C\C2=CC=CC=C2)/C3=NC4=C(C=CC(=C4)NC(=O)/C(=C(\C(=O)O)/Cl)/Cl)C(=O)N13

InChI

InChI=1S/C23H17Cl2N3O4/c1-12-9-14(10-13-5-3-2-4-6-13)20-27-17-11-15(7-8-16(17)22(30)28(12)20)26-21(29)18(24)19(25)23(31)32/h2-8,10-12H,9H2,1H3,(H,26,29)(H,31,32)/b14-10+,19-18-