methyl 3-aminocarbonyl-8-bromanyl-9b-ethyl-2-methyl-4,5-bis(oxidanylidene)-3aH-benzo[e]indole-1-carboxylate

Systemtic Name: methyl 3-aminocarbonyl-8-bromanyl-9b-ethyl-2-methyl-4,5-bis(oxidanylidene)-3aH-benzo[e]indole-1-carboxylate Openeye Name: methyl 8-bromo-3-carbamoyl-9b-ethyl-2-methyl-4,5-dioxo-3aH-benzo[e]indole-1-carboxylate CAS Name: 8-bromo-3-carbamoyl-9b-ethyl-2-methyl-4,5-dioxo-3aH-benzo[e]indole-1-carboxylic acid methyl ester IUPAC Name: methyl 8-bromo-3-carbamoyl-9b-ethyl-2-methyl-4,5-dioxo-3aH-benzo[e]indole-1-carboxylate Traditional Name: 8-bromo-3-carbamoyl-9b-ethyl-4,5-diketo-2-methyl-3aH-benz[e]indole-1-carboxylic acid methyl ester Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(=O)C(=O)C3=C1C=C(C=C3)Br)N(C(=C2C(=O)OC)C)C(=O)N

Isomeric SMILES

CCC12C(C(=O)C(=O)C3=C1C=C(C=C3)Br)N(C(=C2C(=O)OC)C)C(=O)N

InChI

InChI=1S/C18H17BrN2O5/c1-4-18-11-7-9(19)5-6-10(11)13(22)14(23)15(18)21(17(20)25)8(2)12(18)16(24)26-3/h5-7,15H,4H2,1-3H3,(H2,20,25)