[(E)-[(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene]amino] 3,5-dinitrobenzoate

Systemtic Name: [(E)-[(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene]amino] 3,5-dinitrobenzoate Openeye Name: [(E)-[(2S)-7-methoxy-2-methyl-chroman-4-ylidene]amino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(E)-[(2S)-7-methoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino] ester IUPAC Name: [(E)-[(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene]amino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(E)-[(2S)-7-methoxy-2-methyl-chroman-4-ylidene]amino] ester Formula: C18H15N3O8 MolecularWeight: 401.327

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(O1)C=C(C=C3)OC

Isomeric SMILES

C[C@H]1C/C(=N\OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=C(O1)C=C(C=C3)OC

InChI

InChI=1S/C18H15N3O8/c1-10-5-16(15-4-3-14(27-2)9-17(15)28-10)19-29-18(22)11-6-12(20(23)24)8-13(7-11)21(25)26/h3-4,6-10H,5H2,1-2H3/b19-16+/t10-/m0/s1