methyl 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonyl-(3-nitrophenyl)amino]ethanoate

Systemtic Name: methyl 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonyl-(3-nitrophenyl)amino]ethanoate Openeye Name: methyl 2-(N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)sulfonyl-3-nitro-anilino)acetate CAS Name: 2-[N-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)sulfonyl]-3-nitroanilino]acetic acid methyl ester IUPAC Name: methyl 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-nitroanilino)acetate Traditional Name: 2-(N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)sulfonyl-3-nitro-anilino)acetic acid methyl ester Formula: C18H18N4O7S MolecularWeight: 434.42312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(CC(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(CC(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])N(C1=O)C

InChI

InChI=1S/C18H18N4O7S/c1-19-15-8-7-14(10-16(15)20(2)18(19)24)30(27,28)21(11-17(23)29-3)12-5-4-6-13(9-12)22(25)26/h4-10H,11H2,1-3H3