4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-3-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-3-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(N-(2-methoxy-1-methyl-2-oxo-ethyl)anilino)-3-[(4-nitrophenyl)methoxycarbonylamino]-4-oxo-butanoic acid CAS Name: 4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-3-[(4-nitrophenyl)methoxycarbonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(N-(2-keto-2-methoxy-1-methyl-ethyl)anilino)-3-[(4-nitrobenzyl)oxycarbonylamino]butyric acid Formula: C22H23N3O9 MolecularWeight: 473.43272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O9/c1-14(21(29)33-2)24(16-6-4-3-5-7-16)20(28)18(12-19(26)27)23-22(30)34-13-15-8-10-17(11-9-15)25(31)32/h3-11,14,18H,12-13H2,1-2H3,(H,23,30)(H,26,27)