methyl 2-[[(3S)-3-(dimethylaminomethylidenecarbamoyl)piperidin-1-yl]methyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[[(3S)-3-(dimethylaminomethylidenecarbamoyl)piperidin-1-yl]methyl]-3-nitro-benzoate Openeye Name: methyl 2-[[(3S)-3-(dimethylaminomethylenecarbamoyl)-1-piperidyl]methyl]-3-nitro-benzoate CAS Name: 2-[[(3S)-3-[(dimethylaminomethylideneamino)-oxomethyl]-1-piperidinyl]methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-3-(dimethylaminomethylidenecarbamoyl)piperidin-1-yl]methyl]-3-nitrobenzoate Traditional Name: 2-[[(3S)-3-(dimethylaminomethylenecarbamoyl)piperidino]methyl]-3-nitro-benzoic acid methyl ester Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC(=O)C1CCCN(C1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C)C=NC(=O)[C@H]1CCCN(C1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H24N4O5/c1-20(2)12-19-17(23)13-6-5-9-21(10-13)11-15-14(18(24)27-3)7-4-8-16(15)22(25)26/h4,7-8,12-13H,5-6,9-11H2,1-3H3/t13-/m0/s1