N-[2-(azepan-1-yl)propyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)propyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)propyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[2-(1-azepanyl)propyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)propyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)propyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC(C)N2CCCCCC2)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC(C)N2CCCCCC2)OC

InChI

InChI=1S/C19H29N3O5/c1-4-27-18-12-16(22(24)25)15(11-17(18)26-3)19(23)20-13-14(2)21-9-7-5-6-8-10-21/h11-12,14H,4-10,13H2,1-3H3,(H,20,23)