N-(3,4-dipropoxyphenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(3,4-dipropoxyphenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(3,4-dipropoxyphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-(3,4-dipropoxyphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-(3,4-dipropoxyphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(3,4-dipropoxyphenyl)-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])OCCC

InChI

InChI=1S/C22H25N3O7/c1-3-9-30-19-7-5-15(11-20(19)31-10-4-2)23-21(26)13-24-17-12-16(25(28)29)6-8-18(17)32-14-22(24)27/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,23,26)