(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloranyl-3-nitro-phenyl)carbamate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloranyl-3-nitro-phenyl)carbamate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitro-phenyl)carbamate CAS Name: N-(4-chloro-3-nitrophenyl)carbamic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate Traditional Name: N-(4-chloro-3-nitro-phenyl)carbamic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C13H15ClN4O4 MolecularWeight: 326.7356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NOC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NOC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN4O4/c14-10-6-5-9(8-11(10)18(20)21)16-13(19)22-17-12-4-2-1-3-7-15-12/h5-6,8H,1-4,7H2,(H,15,17)(H,16,19)