2-[(3S)-3-methylpiperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 2-[(3S)-3-methylpiperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 2-[(3S)-3-methylpiperazin-1-yl]-3-nitro-benzoic acid CAS Name: 2-[(3S)-3-methyl-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 2-[(3S)-3-methylpiperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 2-[(3S)-3-methylpiperazino]-3-nitro-benzoic acid Formula: C12H15N3O4 MolecularWeight: 265.2652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C[C@H]1CN(CCN1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H15N3O4/c1-8-7-14(6-5-13-8)11-9(12(16)17)3-2-4-10(11)15(18)19/h2-4,8,13H,5-7H2,1H3,(H,16,17)/t8-/m0/s1