[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S/c1-15(2)24(18-10-8-17(9-11-18)23-16-6-4-3-5-7-16)20(26)14-30-22(27)19-12-13-21(31-19)25(28)29/h3-13,15,23H,14H2,1-2H3