2-[3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-propyl]-2,6-dimethyl-4-(2-nitrophenyl)-1H-acridine-9-carboxylate

Systemtic Name: 2-[3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-propyl]-2,6-dimethyl-4-(2-nitrophenyl)-1H-acridine-9-carboxylate Openeye Name: 2-[3-(2,6-dimethylanilino)-3-oxo-propyl]-2,6-dimethyl-4-(2-nitrophenyl)-1H-acridine-9-carboxylate CAS Name: 2-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,6-dimethyl-4-(2-nitrophenyl)-1H-acridine-9-carboxylate IUPAC Name: 2-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,6-dimethyl-4-(2-nitrophenyl)-1H-acridine-9-carboxylate Traditional Name: 2-[3-(2,6-dimethylanilino)-3-keto-propyl]-2,6-dimethyl-4-(2-nitrophenyl)-1H-acridine-9-carboxylate Formula: C33H30N3O5- MolecularWeight: 548.6084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(CC(C=C3C4=CC=CC=C4[N+](=O)[O-])(C)CCC(=O)NC5=C(C=CC=C5C)C)C(=C2C=C1)C(=O)[O-]

Isomeric SMILES

CC1=CC2=NC3=C(CC(C=C3C4=CC=CC=C4[N+](=O)[O-])(C)CCC(=O)NC5=C(C=CC=C5C)C)C(=C2C=C1)C(=O)[O-]

InChI

InChI=1S/C33H31N3O5/c1-19-12-13-23-26(16-19)34-31-24(22-10-5-6-11-27(22)36(40)41)17-33(4,18-25(31)29(23)32(38)39)15-14-28(37)35-30-20(2)8-7-9-21(30)3/h5-13,16-17H,14-15,18H2,1-4H3,(H,35,37)(H,38,39)/p-1