[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O7/c1-3-27-17-9-14(15(21(24)25)10-16(17)26-2)19(23)28-12-18(22)20-11-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,20,22)