(3S)-N-(4-methoxy-2-nitro-phenyl)-2-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-methoxy-2-nitro-phenyl)-2-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-methoxy-2-nitro-phenyl)-2-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-(4-methoxy-2-nitrophenyl)-2-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-methoxy-2-nitrophenyl)-2-oxopiperidine-3-carboxamide Traditional Name: (3S)-2-keto-N-(4-methoxy-2-nitro-phenyl)nipecotamide Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2CCCNC2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)[C@H]2CCCNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5/c1-21-8-4-5-10(11(7-8)16(19)20)15-13(18)9-3-2-6-14-12(9)17/h4-5,7,9H,2-3,6H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1