4-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-methoxy-N-[(4-nitrophenyl)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-methoxy-N-[(4-nitrophenyl)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-methoxy-N-[(4-nitrophenyl)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-methoxy-N-(4-nitrobenzyl)anilino)butyric acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)O

InChI

InChI=1S/C18H18N2O6/c1-26-16-8-6-14(7-9-16)19(17(21)10-11-18(22)23)12-13-2-4-15(5-3-13)20(24)25/h2-9H,10-12H2,1H3,(H,22,23)