2-[(2S)-butan-2-yl]imino-3-[[(2-chloranyl-4-nitro-phenyl)amino]methylidene]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(2S)-butan-2-yl]imino-3-[[(2-chloranyl-4-nitro-phenyl)amino]methylidene]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 3-[(2-chloro-4-nitro-anilino)methylene]-9-methyl-2-[(1S)-1-methylpropyl]imino-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(2S)-butan-2-yl]imino-3-[(2-chloro-4-nitroanilino)methylidene]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(2S)-butan-2-yl]imino-3-[(2-chloro-4-nitroanilino)methylidene]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-[(2-chloro-4-nitro-anilino)methylene]-9-methyl-2-[(1S)-1-methylpropyl]imino-pyrido[1,2-a]pyrimidin-4-one Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C1C(=CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N3C=CC=C(C3=N1)C

Isomeric SMILES

CC[C@H](C)N=C1C(=CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)N3C=CC=C(C3=N1)C

InChI

InChI=1S/C20H20ClN5O3/c1-4-13(3)23-18-15(20(27)25-9-5-6-12(2)19(25)24-18)11-22-17-8-7-14(26(28)29)10-16(17)21/h5-11,13,22H,4H2,1-3H3/t13-/m0/s1