[2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[2-(4-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-[N'-(4-nitrobenzoyl)hydrazino]ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7/c1-2-3-4-13-30-18-11-7-16(8-12-18)21(27)31-14-19(25)22-23-20(26)15-5-9-17(10-6-15)24(28)29/h5-12H,2-4,13-14H2,1H3,(H,22,25)(H,23,26)