[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-4-21-17-10-9-14(11-18(17)23(26)27)20(25)28-12-19(24)22-16-8-6-5-7-15(16)13(2)3/h5-11,13,21H,4,12H2,1-3H3,(H,22,24)