3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzaldehyde

Systemtic Name: 3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzaldehyde Openeye Name: 3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzaldehyde CAS Name: 3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzaldehyde IUPAC Name: 3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzaldehyde Traditional Name: 3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzaldehyde Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3/c1-2-14(15-6-4-3-5-7-15)11-18-16-9-8-13(12-20)10-17(16)19(21)22/h3-10,12,14,18H,2,11H2,1H3/t14-/m1/s1