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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)OCCN4C=CN=C4

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)OCCN4C=CN=C4

InChI

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