N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]phthalazine-1-carboxamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C=C\C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c1-14(2)25-21(28)17-11-5-4-10-16(17)19(24-25)20(27)23-22-13-7-9-15-8-3-6-12-18(15)26(29)30/h3-14H,1-2H3,(H,23,27)/b9-7+,22-13-