[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[2-(5-methylisoxazol-3-yl)pyrrolidin-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[2-(5-methylisoxazol-3-yl)pyrrolidino]-3-nitro-phenyl]-phenyl-methanone Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2CCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)C2CCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-14-12-17(22-28-14)18-8-5-11-23(18)19-10-9-16(13-20(19)24(26)27)21(25)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,18H,5,8,11H2,1H3