2,2-bis(methoxymethyl)-4-[[1-(2-nitroethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-4-[[1-(2-nitroethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[[1-(2-nitroethyl)-6-oxo-pyridazin-3-yl]amino]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[[1-(2-nitroethyl)-6-oxo-3-pyridazinyl]amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[[1-(2-nitroethyl)-6-oxopyridazin-3-yl]amino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[[6-keto-1-(2-nitroethyl)pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C20H23N5O7 MolecularWeight: 445.42592

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)CC[N+](=O)[O-])O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)CC[N+](=O)[O-])O)COC

InChI

InChI=1S/C20H23N5O7/c1-30-11-20(12-31-2)19(27)18(14-9-13(10-21)3-4-15(14)32-20)22-16-5-6-17(26)24(23-16)7-8-25(28)29/h3-6,9,18-19,27H,7-8,11-12H2,1-2H3,(H,22,23)