methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoate CAS Name: 2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-9-11-23(12-10-14)18-8-7-15(13-19(18)24(27)28)20(25)22-17-6-4-3-5-16(17)21(26)29-2/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)