4-ethyl-1,2-dimethoxy-benzene; 3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid; hydrochloride

Systemtic Name: 4-ethyl-1,2-dimethoxy-benzene; 3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid; hydrochloride Openeye Name: 4-ethyl-1,2-dimethoxy-benzene; 4-[(3-hydroxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid; hydrochloride CAS Name: 4-ethyl-1,2-dimethoxybenzene; 4-[(3-hydroxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid; hydrochloride IUPAC Name: 4-ethyl-1,2-dimethoxybenzene; 4-[(3-hydroxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid; hydrochloride Traditional Name: 4-ethyl-1,2-dimethoxy-benzene; 4-[(3-hydroxy-3-keto-propanoyl)amino]-3-nitro-benzoic acid; hydrochloride Formula: C20H23ClN2O9 MolecularWeight: 470.85762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC)OC.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O.Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)OC)OC.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O.Cl

InChI

InChI=1S/C10H8N2O7.C10H14O2.ClH/c13-8(4-9(14)15)11-6-2-1-5(10(16)17)3-7(6)12(18)19;1-4-8-5-6-9(11-2)10(7-8)12-3;/h1-3H,4H2,(H,11,13)(H,14,15)(H,16,17);5-7H,4H2,1-3H3;1H