3-[(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-propan-2-yl-amino]propanenitrile

Systemtic Name: 3-[(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-propan-2-yl-amino]propanenitrile Openeye Name: 3-[isopropyl-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]amino]propanenitrile CAS Name: 3-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-propan-2-ylamino]propanenitrile IUPAC Name: 3-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-propan-2-ylamino]propanenitrile Traditional Name: 3-[isopropyl-[(2-keto-6-nitro-1,3-benzoxazol-3-yl)methyl]amino]propionitrile Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC#N)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC(C)N(CCC#N)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C14H16N4O4/c1-10(2)16(7-3-6-15)9-17-12-5-4-11(18(20)21)8-13(12)22-14(17)19/h4-5,8,10H,3,7,9H2,1-2H3