4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H21N5O6/c1-2-11-22-20(28)24-15-7-5-14(6-8-15)23-19(27)4-3-12-25-17-10-9-16(26(30)31)13-18(17)32-21(25)29/h2,5-10,13H,1,3-4,11-12H2,(H,23,27)(H2,22,24,28)