[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H27N3O8S MolecularWeight: 505.54078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O8S/c1-2-33-18-9-12-20(21(15-18)26(29)30)24-22(27)16-34-23(28)17-7-10-19(11-8-17)35(31,32)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14,16H2,1H3,(H,24,27)