4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[methyl(3-pyridylmethyl)amino]-3-nitro-benzoic acid CAS Name: 4-[methyl(3-pyridinylmethyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[methyl(3-pyridylmethyl)amino]-3-nitro-benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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