N-[2-chloranyl-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-chloranyl-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-chloro-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C19H19ClN4O4 MolecularWeight: 402.83156

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O4/c20-16-7-4-14(19(26)23-10-1-8-21-9-11-23)12-17(16)22-18(25)13-2-5-15(6-3-13)24(27)28/h2-7,12,21H,1,8-11H2,(H,22,25)