(1-cyclopropyl-4-nitro-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone

Systemtic Name: (1-cyclopropyl-4-nitro-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone Openeye Name: (1-cyclopropyl-4-nitro-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone CAS Name: (1-cyclopropyl-4-nitro-2-pyrrolyl)-(1,4-diazepan-1-yl)methanone IUPAC Name: (1-cyclopropyl-4-nitropyrrol-2-yl)-(1,4-diazepan-1-yl)methanone Traditional Name: (1-cyclopropyl-4-nitro-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=CN2C3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=CN2C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3/c18-13(15-6-1-4-14-5-7-15)12-8-11(17(19)20)9-16(12)10-2-3-10/h8-10,14H,1-7H2