4-(cyclopropylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-nitro-benzamide Openeye Name: N-[(4S)-chroman-4-yl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-nitrobenzamide Traditional Name: N-[(4S)-chroman-4-yl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c23-19(21-15-9-10-26-18-4-2-1-3-14(15)18)12-5-8-16(20-13-6-7-13)17(11-12)22(24)25/h1-5,8,11,13,15,20H,6-7,9-10H2,(H,21,23)/t15-/m0/s1