[(E)-(5-chloranyl-2,3-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate

Systemtic Name: [(E)-(5-chloranyl-2,3-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate Openeye Name: [(E)-(5-chloro-2,3-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-(5-chloro-2,3-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(5-chloro-2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-(5-chloro-4-keto-2,3-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C15H11ClN2O5 MolecularWeight: 334.71124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC\1=C(C(=O)C(=C/C1=N\OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C15H11ClN2O5/c1-8-9(2)14(19)12(16)7-13(8)17-23-15(20)10-3-5-11(6-4-10)18(21)22/h3-7H,1-2H3/b17-13+