[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] (4Z)-2-tert-butyl-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4Z)-2-tert-butyl-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C31H29N3O5S MolecularWeight: 555.64406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H29N3O5S/c1-31(2,3)20-14-19(15-23-10-7-13-40-23)29-25(16-20)28(24-11-4-5-12-26(24)33-29)30(36)39-18-27(35)32-21-8-6-9-22(17-21)34(37)38/h4-13,15,17,20H,14,16,18H2,1-3H3,(H,32,35)/b19-15-