4-nitro-6-[[[(2S)-2-phenylbutyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-nitro-6-[[[(2S)-2-phenylbutyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-nitro-6-[[[(2S)-2-phenylbutyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-nitro-6-[[[(2S)-2-phenylbutyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-nitro-6-[[[(2S)-2-phenylbutyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-nitro-6-[[[(2S)-2-phenylbutyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC=C1C=C(C=CC1=O)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC=C1C=C(C=CC1=O)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3/c1-2-13(14-6-4-3-5-7-14)11-18-12-15-10-16(19(21)22)8-9-17(15)20/h3-10,12-13,18H,2,11H2,1H3/t13-/m1/s1