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

Systemtic Name: [(Z)-(5-methyl-4-oxidanylidene-2-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate Openeye Name: [(Z)-(2-isopropyl-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(Z)-(5-methyl-4-oxo-2-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(Z)-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(Z)-(2-isopropyl-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7/c1-9(2)14-8-16(21)10(3)4-15(14)18-27-17(22)11-5-12(19(23)24)7-13(6-11)20(25)26/h4-9H,1-3H3/b18-15-