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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c24-19(22-8-10-28-11-9-22)14-29-20(25)16-6-7-17(18(12-16)23(26)27)21-13-15-4-2-1-3-5-15/h1-7,12,21H,8-11,13-14H2