6-[[(3-bromanyl-4-methoxy-phenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(3-bromanyl-4-methoxy-phenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-6-[(3-bromo-4-methoxy-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(3-bromo-4-methoxyanilino)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-6-[(3-bromo-4-methoxyanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-6-[(3-bromo-4-methoxy-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H17BrN2O4/c1-28-20-8-7-17(12-18(20)22)23-13-16-10-15(9-14-5-3-2-4-6-14)11-19(21(16)25)24(26)27/h2-8,10-13,23H,9H2,1H3