N-[4-(azepan-1-yl)phenyl]-2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H22N4O5/c26-20(14-24-18-10-9-17(25(28)29)13-19(18)30-21(24)27)22-15-5-7-16(8-6-15)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2,(H,22,26)