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

Systemtic Name: [(E)-(2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate Openeye Name: [(E)-(2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(E)-(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(E)-(4-keto-2,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C15H11N3O7 MolecularWeight: 345.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C/C(=N\OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])/C(=CC1=O)C

InChI

InChI=1S/C15H11N3O7/c1-8-4-14(19)9(2)3-13(8)16-25-15(20)10-5-11(17(21)22)7-12(6-10)18(23)24/h3-7H,1-2H3/b16-13+