4-[[1-[(4-methoxyphenyl)methoxy]-1-oxidanylidene-propan-2-yl]amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[[1-[(4-methoxyphenyl)methoxy]-1-oxidanylidene-propan-2-yl]amino]-3,5-dinitro-benzoic acid Openeye Name: 4-[[2-[(4-methoxyphenyl)methoxy]-1-methyl-2-oxo-ethyl]amino]-3,5-dinitro-benzoic acid CAS Name: 4-[[1-[(4-methoxyphenyl)methoxy]-1-oxopropan-2-yl]amino]-3,5-dinitrobenzoic acid IUPAC Name: 4-[[1-[(4-methoxyphenyl)methoxy]-1-oxopropan-2-yl]amino]-3,5-dinitrobenzoic acid Traditional Name: 4-[(2-keto-1-methyl-2-p-anisyloxy-ethyl)amino]-3,5-dinitro-benzoic acid Formula: C18H17N3O9 MolecularWeight: 419.34228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)OC)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=CC=C(C=C1)OC)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O9/c1-10(18(24)30-9-11-3-5-13(29-2)6-4-11)19-16-14(20(25)26)7-12(17(22)23)8-15(16)21(27)28/h3-8,10,19H,9H2,1-2H3,(H,22,23)