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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4/c27-23(25-19-12-13-30-22-9-5-4-8-18(19)22)17-10-11-20(21(14-17)26(28)29)24-15-16-6-2-1-3-7-16/h1-11,14,19,24H,12-13,15H2,(H,25,27)/t19-/m0/s1