2-nitro-5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one

Systemtic Name: 2-nitro-5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one Openeye Name: 2-nitro-5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one CAS Name: 2-nitro-5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 2-nitro-5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one Traditional Name: 2-nitro-5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC1

Isomeric SMILES

C1CCC2NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC1

InChI

InChI=1S/C13H15N3O3/c17-13-10-8-9(16(18)19)5-6-11(10)14-12-4-2-1-3-7-15(12)13/h5-6,8,12,14H,1-4,7H2