[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C16H12N4O5 MolecularWeight: 340.29028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O5/c17-8-10-2-1-3-11(6-10)19-15(21)9-25-16(22)13-7-12(20(23)24)4-5-14(13)18/h1-7H,9,18H2,(H,19,21)