[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c26-21(24-18-9-5-2-6-10-18)15-30-22(27)17-11-12-19(20(13-17)25(28)29)23-14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,18,23H,2,5-6,9-10,14-15H2,(H,24,26)