4-[[[2-(hydroxymethyl)-4-methyl-phenyl]amino]methyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[[2-(hydroxymethyl)-4-methyl-phenyl]amino]methyl]-3-nitro-benzoic acid Openeye Name: 4-[[2-(hydroxymethyl)-4-methyl-anilino]methyl]-3-nitro-benzoic acid CAS Name: 4-[[2-(hydroxymethyl)-4-methylanilino]methyl]-3-nitrobenzoic acid IUPAC Name: 4-[[2-(hydroxymethyl)-4-methylanilino]methyl]-3-nitrobenzoic acid Traditional Name: 4-[(4-methyl-2-methylol-anilino)methyl]-3-nitro-benzoic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CO

Isomeric SMILES

CC1=CC(=C(C=C1)NCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CO

InChI

InChI=1S/C16H16N2O5/c1-10-2-5-14(13(6-10)9-19)17-8-12-4-3-11(16(20)21)7-15(12)18(22)23/h2-7,17,19H,8-9H2,1H3,(H,20,21)