N-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-ethyl-3-nitro-phenyl)methyleneamino]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[(Z)-(4-ethyl-3-nitro-benzylidene)amino]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=N\NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-4-15-10-9-14(11-18(15)26(29)30)12-22-23-20(27)19-16-7-5-6-8-17(16)21(28)25(24-19)13(2)3/h5-13H,4H2,1-3H3,(H,23,27)/b22-12-