N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-2-[(phenylmethyl)amino]benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-2-[(phenylmethyl)amino]benzamide Openeye Name: 2-(benzylamino)-N-[(4S)-chroman-4-yl]-5-nitro-benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-5-nitro-2-[(phenylmethyl)amino]benzamide IUPAC Name: 2-(benzylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitrobenzamide Traditional Name: 2-(benzylamino)-N-[(4S)-chroman-4-yl]-5-nitro-benzamide Formula: C23H21N3O4 MolecularWeight: 403.43054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4/c27-23(25-21-12-13-30-22-9-5-4-8-18(21)22)19-14-17(26(28)29)10-11-20(19)24-15-16-6-2-1-3-7-16/h1-11,14,21,24H,12-13,15H2,(H,25,27)/t21-/m0/s1