N-[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

InChI

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