5-[methyl(pyridin-4-ylmethyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[methyl(pyridin-4-ylmethyl)amino]-2-nitro-benzoic acid Openeye Name: 5-[methyl(4-pyridylmethyl)amino]-2-nitro-benzoic acid CAS Name: 5-[methyl(pyridin-4-ylmethyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[methyl(pyridin-4-ylmethyl)amino]-2-nitrobenzoic acid Traditional Name: 5-[methyl(4-pyridylmethyl)amino]-2-nitro-benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-16(9-10-4-6-15-7-5-10)11-2-3-13(17(20)21)12(8-11)14(18)19/h2-8H,9H2,1H3,(H,18,19)