3-[2-(aminomethyl)-4-nitro-phenoxy]azepan-2-one

Systemtic Name: 3-[2-(aminomethyl)-4-nitro-phenoxy]azepan-2-one Openeye Name: 3-[2-(aminomethyl)-4-nitro-phenoxy]azepan-2-one CAS Name: 3-[2-(aminomethyl)-4-nitrophenoxy]-2-azepanone IUPAC Name: 3-[2-(aminomethyl)-4-nitrophenoxy]azepan-2-one Traditional Name: 3-[2-(aminomethyl)-4-nitro-phenoxy]azepan-2-one Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)[N+](=O)[O-])CN

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)[N+](=O)[O-])CN

InChI

InChI=1S/C13H17N3O4/c14-8-9-7-10(16(18)19)4-5-11(9)20-12-3-1-2-6-15-13(12)17/h4-5,7,12H,1-3,6,8,14H2,(H,15,17)