methyl N-[4-[[4-(methoxycarbonylamino)-2-nitro-phenyl]methyl]-3-nitro-phenyl]carbamate

Systemtic Name: methyl N-[4-[[4-(methoxycarbonylamino)-2-nitro-phenyl]methyl]-3-nitro-phenyl]carbamate Openeye Name: methyl N-[4-[[4-(methoxycarbonylamino)-2-nitro-phenyl]methyl]-3-nitro-phenyl]carbamate CAS Name: N-[4-[[4-(methoxycarbonylamino)-2-nitrophenyl]methyl]-3-nitrophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[[4-(methoxycarbonylamino)-2-nitrophenyl]methyl]-3-nitrophenyl]carbamate Traditional Name: N-[4-[4-(carbomethoxyamino)-2-nitro-benzyl]-3-nitro-phenyl]carbamic acid methyl ester Formula: C17H16N4O8 MolecularWeight: 404.33094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC(=C(C=C1)CC2=C(C=C(C=C2)NC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=CC(=C(C=C1)CC2=C(C=C(C=C2)NC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8/c1-28-16(22)18-12-5-3-10(14(8-12)20(24)25)7-11-4-6-13(19-17(23)29-2)9-15(11)21(26)27/h3-6,8-9H,7H2,1-2H3,(H,18,22)(H,19,23)