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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[2-methyl-4-(4-methylpiperazino)phenyl]butyramide Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H27N5O5/c1-16-14-17(26-12-10-25(2)11-13-26)5-7-19(16)24-22(29)4-3-9-27-20-8-6-18(28(31)32)15-21(20)33-23(27)30/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,29)