2-[methyl(3-phenylpropyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[methyl(3-phenylpropyl)amino]-5-nitro-benzoic acid Openeye Name: 2-[methyl(3-phenylpropyl)amino]-5-nitro-benzoic acid CAS Name: 2-[methyl(3-phenylpropyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[methyl(3-phenylpropyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[methyl(3-phenylpropyl)amino]-5-nitro-benzoic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(CCCC1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H18N2O4/c1-18(11-5-8-13-6-3-2-4-7-13)16-10-9-14(19(22)23)12-15(16)17(20)21/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,21)