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

Systemtic Name: ethyl 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonyl-(3-nitrophenyl)amino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C

InChI

InChI=1S/C19H20N4O7S/c1-4-30-18(24)12-22(13-6-5-7-14(10-13)23(26)27)31(28,29)15-8-9-16-17(11-15)21(3)19(25)20(16)2/h5-11H,4,12H2,1-3H3