2-diethylaminoethyl 4-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[(Z)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate CAS Name: 4-[[(Z)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[(Z)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate Traditional Name: 4-[[(Z)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C=C\2/C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-3-22(4-2)11-12-28-20(25)15-5-7-17(8-6-15)21-14-16-13-18(23(26)27)9-10-19(16)24/h5-10,13-14,21H,3-4,11-12H2,1-2H3/b16-14-