[4-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl] 4-pentoxybenzoate

Systemtic Name: [4-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl] 4-pentoxybenzoate Openeye Name: [4-[(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [4-[(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl] ester IUPAC Name: [4-[(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-[(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl] ester Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC=C3C=CC=C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC=C3C=CC=C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O6/c1-2-3-4-16-32-21-12-8-18(9-13-21)25(29)33-22-14-10-20(11-15-22)26-17-19-6-5-7-23(24(19)28)27(30)31/h5-15,17,26H,2-4,16H2,1H3