[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-nitro-phenyl]-phenyl-methanone Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O5/c25-22(15-6-2-1-3-7-15)16-10-11-18(19(12-16)24(26)27)23-13-17-14-28-20-8-4-5-9-21(20)29-17/h1-12,17,23H,13-14H2/t17-/m0/s1