(2-methoxy-5-nitro-phenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O8/c1-28-16-7-6-15(21(26)27)10-13(16)11-29-17(22)8-9-19-18(23)12-2-4-14(5-3-12)20(24)25/h2-7,10H,8-9,11H2,1H3,(H,19,23)