3-(3-naphthalen-2-ylpropanoylamino)-4-(1-nitroethyl)benzoic acid

Systemtic Name: 3-(3-naphthalen-2-ylpropanoylamino)-4-(1-nitroethyl)benzoic acid Openeye Name: 3-[3-(2-naphthyl)propanoylamino]-4-(1-nitroethyl)benzoic acid CAS Name: 3-[[3-(2-naphthalenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-(3-naphthalen-2-ylpropanoylamino)-4-(1-nitroethyl)benzoic acid Traditional Name: 3-[3-(2-naphthyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5/c1-14(24(28)29)19-10-9-18(22(26)27)13-20(19)23-21(25)11-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-6,8-10,12-14H,7,11H2,1H3,(H,23,25)(H,26,27)