2-[(4-methylpyridin-2-yl)carbamoyl]-4-nitro-benzoic acid

Systemtic Name: 2-[(4-methylpyridin-2-yl)carbamoyl]-4-nitro-benzoic acid Openeye Name: 2-[(4-methyl-2-pyridyl)carbamoyl]-4-nitro-benzoic acid CAS Name: 2-[[(4-methyl-2-pyridinyl)amino]-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[(4-methylpyridin-2-yl)carbamoyl]-4-nitrobenzoic acid Traditional Name: 2-[(4-methyl-2-pyridyl)carbamoyl]-4-nitro-benzoic acid Formula: C14H11N3O5 MolecularWeight: 301.25424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11N3O5/c1-8-4-5-15-12(6-8)16-13(18)11-7-9(17(21)22)2-3-10(11)14(19)20/h2-7H,1H3,(H,19,20)(H,15,16,18)