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

Systemtic Name: 4-ethyl-1,2-dimethoxy-benzene; 4-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-nitro-benzoic acid Openeye Name: 4-ethyl-1,2-dimethoxy-benzene; 4-[(3-methoxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid CAS Name: 4-ethyl-1,2-dimethoxybenzene; 4-[(3-methoxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-ethyl-1,2-dimethoxybenzene; 4-[(3-methoxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid Traditional Name: 4-ethyl-1,2-dimethoxy-benzene; 4-[(3-keto-3-methoxy-propanoyl)amino]-3-nitro-benzoic acid Formula: C21H24N2O9 MolecularWeight: 448.42326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC)OC.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)OC)OC.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O7.C10H14O2/c1-20-10(15)5-9(14)12-7-3-2-6(11(16)17)4-8(7)13(18)19;1-4-8-5-6-9(11-2)10(7-8)12-3/h2-4H,5H2,1H3,(H,12,14)(H,16,17);5-7H,4H2,1-3H3