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

Systemtic Name: [(E)-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate Openeye Name: [(E)-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(E)-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(E)-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C14H9N3O7 MolecularWeight: 331.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O7/c1-8-4-10(2-3-13(8)18)15-24-14(19)9-5-11(16(20)21)7-12(6-9)17(22)23/h2-7H,1H3/b15-10+