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

Systemtic Name: N-[3-methyl-4-(2-oxidanylidenechromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-methyl-4-(2-oxo-1-benzopyran-3-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(2-ketochromen-3-yl)-3-methyl-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H23N3O5/c1-17-14-20(9-10-21(17)22-15-18-6-2-3-7-25(18)35-27(22)32)28-26(31)19-8-11-23(24(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)