methyl 3-[(4-cyanophenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-cyanophenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-cyanophenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-cyanoanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-cyanophenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-cyanophenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c1-24-16(21)12-6-11(7-14(8-12)19(22)23)15(20)18-13-4-2-10(9-17)3-5-13/h2-8H,1H3,(H,18,20)