methyl 4-[(4-cyanophenyl)carbonyl-methyl-amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[(4-cyanophenyl)carbonyl-methyl-amino]-3-nitro-benzoate Openeye Name: methyl 4-[(4-cyanobenzoyl)-methyl-amino]-3-nitro-benzoate CAS Name: 4-[[(4-cyanophenyl)-oxomethyl]-methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyanobenzoyl)-methylamino]-3-nitrobenzoate Traditional Name: 4-[(4-cyanobenzoyl)-methyl-amino]-3-nitro-benzoic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13N3O5/c1-19(16(21)12-5-3-11(10-18)4-6-12)14-8-7-13(17(22)25-2)9-15(14)20(23)24/h3-9H,1-2H3