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

Systemtic Name: 4-[methyl(thiophen-3-ylmethyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[methyl(3-thienylmethyl)amino]-3-nitro-benzoic acid CAS Name: 4-[methyl(3-thiophenylmethyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl(thiophen-3-ylmethyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[methyl(3-thenyl)amino]-3-nitro-benzoic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4S/c1-14(7-9-4-5-20-8-9)11-3-2-10(13(16)17)6-12(11)15(18)19/h2-6,8H,7H2,1H3,(H,16,17)