4-(azepan-1-yl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-methyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-methyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-methyl-3-nitro-benzamide Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-14-11-18(22-30-14)21-19(26)13-23(2)20(27)15-7-8-16(17(12-15)25(28)29)24-9-5-3-4-6-10-24/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,21,22,26)