butyl 4-[(5-ethoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate

Systemtic Name: butyl 4-[(5-ethoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Openeye Name: butyl 4-[(5-ethoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate CAS Name: 4-[(5-ethoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-ethoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Traditional Name: 4-[(5-ethoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoic acid butyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-3-5-10-28-20(24)14-6-8-16(9-7-14)21-13-15-11-17(22(25)26)12-18(19(15)23)27-4-2/h6-9,11-13,21H,3-5,10H2,1-2H3