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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-4-3-11-23(13-14)18-10-7-16(12-19(18)24(27)28)20(25)22-17-8-5-15(6-9-17)21(26)29-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,25)