[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-keto-2-[(4-methylbenzyl)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)NCC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

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