methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O5/c1-28-18(25)22-11-9-20(10-12-22)15-4-3-14(13-16(15)23(26)27)17(24)21-7-2-5-19-6-8-21/h3-4,13,19H,2,5-12H2,1H3