[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylsulfonylamino)ethanoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(2-naphthylsulfonylamino)acetate CAS Name: 2-(2-naphthalenylsulfonylamino)acetic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-naphthylsulfonylamino)acetic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19N3O7S/c1-14-18(7-4-8-19(14)24(27)28)23-20(25)13-31-21(26)12-22-32(29,30)17-10-9-15-5-2-3-6-16(15)11-17/h2-11,22H,12-13H2,1H3,(H,23,25)