3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid; tetradecane

Systemtic Name: 3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid; tetradecane Openeye Name: 4-[(3-hydroxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid; tetradecane CAS Name: 4-[(3-hydroxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid; tetradecane IUPAC Name: 4-[(3-hydroxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid; tetradecane Traditional Name: 4-[(3-hydroxy-3-keto-propanoyl)amino]-3-nitro-benzoic acid; tetradecane Formula: C24H38N2O7 MolecularWeight: 466.56772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O

InChI

InChI=1S/C14H30.C10H8N2O7/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;13-8(4-9(14)15)11-6-2-1-5(10(16)17)3-7(6)12(18)19/h3-14H2,1-2H3;1-3H,4H2,(H,11,13)(H,14,15)(H,16,17)