N-[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-(2-ketochromen-3-yl)-2-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=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

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