[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-naphthalen-2-ylsulfonylpropanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-naphthalen-2-ylsulfonylpropanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-(2-naphthylsulfonyl)propanoate CAS Name: 3-(2-naphthalenylsulfonyl)propanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-naphthalen-2-ylsulfonylpropanoate Traditional Name: 3-(2-naphthylsulfonyl)propionic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7S/c24-20(22-17-6-3-7-18(13-17)23(26)27)14-30-21(25)10-11-31(28,29)19-9-8-15-4-1-2-5-16(15)12-19/h1-9,12-13H,10-11,14H2,(H,22,24)