(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5/c24-17(10-5-11-19-15-8-3-4-9-16(15)23(26)27)28-12-22-18(25)13-6-1-2-7-14(13)20-21-22/h1-4,6-9,19H,5,10-12H2