N-(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-3-pyridin-4-yl-propanamide

Systemtic Name: N-(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-3-pyridin-4-yl-propanamide Openeye Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)-3-(4-pyridyl)propanamide CAS Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)-3-pyridin-4-ylpropanamide IUPAC Name: N-(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)-3-pyridin-4-ylpropanamide Traditional Name: N-(2-keto-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-6-yl)-3-(4-pyridyl)propionamide Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2NC(=O)O1)[N+](=O)[O-])NC(=O)CCC3=CC=NC=C3)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2NC(=O)O1)[N+](=O)[O-])NC(=O)CCC3=CC=NC=C3)C

InChI

InChI=1S/C18H18N4O5/c1-18(2)12-9-14(15(22(25)26)10-13(12)21-17(24)27-18)20-16(23)4-3-11-5-7-19-8-6-11/h5-10H,3-4H2,1-2H3,(H,20,23)(H,21,24)