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

Systemtic Name: N-[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]-4-morpholino-3-nitro-benzamide Formula: C27H23N3O7 MolecularWeight: 501.48742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H23N3O7/c1-35-25-16-19(7-8-20(25)21-14-17-4-2-3-5-24(17)37-27(21)32)28-26(31)18-6-9-22(23(15-18)30(33)34)29-10-12-36-13-11-29/h2-9,14-16H,10-13H2,1H3,(H,28,31)