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

Systemtic Name: ethyl 3-[(4-cyanophenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-cyanophenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-cyanoanilino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-cyanophenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-cyanophenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5/c1-2-25-17(22)13-7-12(8-15(9-13)20(23)24)16(21)19-14-5-3-11(10-18)4-6-14/h3-9H,2H2,1H3,(H,19,21)