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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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