methyl 3-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[2-(2,3-dimethylanilino)-2-oxo-ethyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[2-(2,3-dimethylanilino)-2-keto-ethyl]piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C23H26N4O6/c1-15-5-4-6-20(16(15)2)24-21(28)14-25-7-9-26(10-8-25)22(29)17-11-18(23(30)33-3)13-19(12-17)27(31)32/h4-6,11-13H,7-10,14H2,1-3H3,(H,24,28)