[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-3-20-16-10-9-15(11-17(16)22(25)26)19(24)27-12-18(23)21-13(2)14-7-5-4-6-8-14/h4-11,13,20H,3,12H2,1-2H3,(H,21,23)/t13-/m1/s1