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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c23-18-8-4-5-9-19(18)27-20(24)15-10-11-16(17(12-15)22(25)26)21-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,19,21H,4-5,8-9,13H2/t19-/m0/s1