(6-ethanoylimino-1,5-dimethyl-cyclohexa-2,4-dien-1-yl) 3-nitrobenzoate

Systemtic Name: (6-ethanoylimino-1,5-dimethyl-cyclohexa-2,4-dien-1-yl) 3-nitrobenzoate Openeye Name: (6-acetylimino-1,5-dimethyl-cyclohexa-2,4-dien-1-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (6-acetylimino-1,5-dimethyl-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (6-acetylimino-1,5-dimethylcyclohexa-2,4-dien-1-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (6-acetylimino-1,5-dimethyl-cyclohexa-2,4-dien-1-yl) ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1=NC(=O)C)(C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(C1=NC(=O)C)(C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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