propan-2-yl (3R)-3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: propan-2-yl (3R)-3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl (3R)-3-[(4-ethoxy-3-nitro-benzoyl)amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3R)-3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3R)-3-[(4-ethoxy-3-nitrobenzoyl)amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3R)-3-[(4-ethoxy-3-nitro-benzoyl)amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(CC(=O)OC(C)C)C2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N[C@H](CC(=O)OC(C)C)C2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O7/c1-5-30-20-11-8-16(12-19(20)24(27)28)22(26)23-18(13-21(25)31-14(2)3)15-6-9-17(29-4)10-7-15/h6-12,14,18H,5,13H2,1-4H3,(H,23,26)/t18-/m1/s1