[(1S)-2-oxidanylidenecyclohexyl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c22-17-8-4-5-9-18(17)26-19(23)13-10-11-15(16(12-13)21(24)25)20-14-6-2-1-3-7-14/h1-3,6-7,10-12,18,20H,4-5,8-9H2/t18-/m0/s1