methyl 4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)[N+](=O)[O-]

InChI

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