propan-2-yl 3-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(5-nitrobenzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(5-nitrobenzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7S/c1-12(2)31-20(25)11-16(15-5-3-4-6-17(15)24(29)30)22-21(26)19-10-13-9-14(23(27)28)7-8-18(13)32-19/h3-10,12,16H,11H2,1-2H3,(H,22,26)