[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5/c17-9-11-3-1-5-13(7-11)18-15(20)10-24-16(21)12-4-2-6-14(8-12)19(22)23/h1-8H,10H2,(H,18,20)