4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-2-(propan-2-ylamino)butanenitrile

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-2-(propan-2-ylamino)butanenitrile Openeye Name: 2-(isopropylamino)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanenitrile CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-2-(propan-2-ylamino)butanenitrile IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-2-(propan-2-ylamino)butanenitrile Traditional Name: 2-(isopropylamino)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyronitrile Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C#N

Isomeric SMILES

CC(C)NC(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C#N

InChI

InChI=1S/C14H16N4O4/c1-9(2)16-10(8-15)5-6-17-12-4-3-11(18(20)21)7-13(12)22-14(17)19/h3-4,7,9-10,16H,5-6H2,1-2H3