[3-[2-(4-aminophenyl)-2-oxidanylidene-ethanehydrazonoyl]phenyl] 4-nitrobenzoate

Systemtic Name: [3-[2-(4-aminophenyl)-2-oxidanylidene-ethanehydrazonoyl]phenyl] 4-nitrobenzoate Openeye Name: [3-[2-(4-aminophenyl)-2-oxo-ethanehydrazonoyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[(1E)-2-(4-aminophenyl)-1-hydrazinylidene-2-oxoethyl]phenyl] ester IUPAC Name: [3-[2-(4-aminophenyl)-2-oxoethanehydrazonoyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-[2-(4-aminophenyl)-2-keto-acetohydrazonoyl]phenyl] ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=NN)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C(=N\N)/C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H16N4O5/c22-16-8-4-13(5-9-16)20(26)19(24-23)15-2-1-3-18(12-15)30-21(27)14-6-10-17(11-7-14)25(28)29/h1-12H,22-23H2/b24-19+