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

Systemtic Name: butyl 4-[(3-chloranyl-2,4-dimethyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Openeye Name: butyl 4-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate CAS Name: 4-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-chloro-2,4-dimethyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Traditional Name: 4-[(3-chloro-6-keto-2,4-dimethyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoic acid butyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-4-5-10-28-20(25)14-6-8-15(9-7-14)22-11-16-12(2)17(21)13(3)18(19(16)24)23(26)27/h6-9,11,22H,4-5,10H2,1-3H3