4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-nitro-benzoic acid Openeye Name: 4-[methyl-[(5-methyl-2-furyl)methyl]amino]-3-nitro-benzoic acid CAS Name: 4-[methyl-[(5-methyl-2-furanyl)methyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[methyl-[(5-methyl-2-furyl)methyl]amino]-3-nitro-benzoic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)CN(C)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5/c1-9-3-5-11(21-9)8-15(2)12-6-4-10(14(17)18)7-13(12)16(19)20/h3-7H,8H2,1-2H3,(H,17,18)