[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-4-21-17-10-5-14(11-18(17)24(28)29)20(27)30-12(2)19(26)23-16-8-6-15(7-9-16)22-13(3)25/h5-12,21H,4H2,1-3H3,(H,22,25)(H,23,26)