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

Systemtic Name: [(E)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzoate Openeye Name: [(E)-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(E)-(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(E)-(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-10(2)14-9-15(11(3)7-16(14)20)18-24-17(21)12-5-4-6-13(8-12)19(22)23/h4-10H,1-3H3/b18-15+