N-[6-(dimethylamino)pyridin-3-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[6-(dimethylamino)pyridin-3-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[6-(dimethylamino)-3-pyridyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[6-(dimethylamino)-3-pyridinyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[6-(dimethylamino)pyridin-3-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[6-(dimethylamino)-3-pyridyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CN(C)C1=NC=C(C=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C18H19N5O5/c1-21(2)16-8-5-12(11-19-16)20-17(24)4-3-9-22-14-7-6-13(23(26)27)10-15(14)28-18(22)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,24)