N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-chroman-4-yl-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-chroman-4-yl-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-23-9-11-24(12-10-23)18-7-6-15(14-19(18)25(27)28)21(26)22-17-8-13-29-20-5-3-2-4-16(17)20/h2-7,14,17H,8-13H2,1H3,(H,22,26)