2-[[(3R)-3-methyl-2-oxidanylidene-piperidin-3-yl]carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[(3R)-3-methyl-2-oxidanylidene-piperidin-3-yl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[(3R)-3-methyl-2-oxo-3-piperidyl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[[(3R)-3-methyl-2-oxo-3-piperidinyl]amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[(3R)-3-methyl-2-oxopiperidin-3-yl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[(3R)-2-keto-3-methyl-3-piperidyl]carbamoyl]-6-nitro-benzoic acid Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCNC1=O)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C[C@]1(CCCNC1=O)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H15N3O6/c1-14(6-3-7-15-13(14)21)16-11(18)8-4-2-5-9(17(22)23)10(8)12(19)20/h2,4-5H,3,6-7H2,1H3,(H,15,21)(H,16,18)(H,19,20)/t14-/m1/s1