4-(cyclopropylamino)-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-3-nitro-benzamide Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O4/c1-3-23(12-13-4-9-19(28-2)16(21)10-13)20(25)14-5-8-17(22-15-6-7-15)18(11-14)24(26)27/h4-5,8-11,15,22H,3,6-7,12H2,1-2H3