N-[3-methyl-4-(2-oxidanylidenechromen-3-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-methyl-4-(2-oxidanylidenechromen-3-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-methyl-4-(2-oxo-1-benzopyran-3-yl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(2-ketochromen-3-yl)-3-methyl-phenyl]-2-morpholino-5-nitro-benzamide Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H23N3O6/c1-17-14-19(6-8-21(17)22-15-18-4-2-3-5-25(18)36-27(22)32)28-26(31)23-16-20(30(33)34)7-9-24(23)29-10-12-35-13-11-29/h2-9,14-16H,10-13H2,1H3,(H,28,31)