2-imidazol-1-ylethyl 2-methyl-5-nitro-9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: 2-imidazol-1-ylethyl 2-methyl-5-nitro-9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: 2-imidazol-1-ylethyl 2-methyl-5-nitro-9,10-dioxo-anthracene-1-carboxylate CAS Name: 2-methyl-5-nitro-9,10-dioxo-1-anthracenecarboxylic acid 2-(1-imidazolyl)ethyl ester IUPAC Name: 2-imidazol-1-ylethyl 2-methyl-5-nitro-9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketo-2-methyl-5-nitro-anthracene-1-carboxylic acid 2-imidazol-1-ylethyl ester Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-])C(=O)OCCN4C=CN=C4

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-])C(=O)OCCN4C=CN=C4

InChI

InChI=1S/C21H15N3O6/c1-12-5-6-14-18(16(12)21(27)30-10-9-23-8-7-22-11-23)20(26)13-3-2-4-15(24(28)29)17(13)19(14)25/h2-8,11H,9-10H2,1H3